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41038-69-1

41038-69-1 | 3-(Pyridin-3-yl)propan-1-amine

CAS No: 41038-69-1 Catalog No: AG003I2P MDL No:MFCD09886637

Product Description

Catalog Number:
AG003I2P
Chemical Name:
3-(Pyridin-3-yl)propan-1-amine
CAS Number:
41038-69-1
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
MDL Number:
MFCD09886637
IUPAC Name:
3-pyridin-3-ylpropan-1-amine
InChI:
InChI=1S/C8H12N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5,9H2
InChI Key:
CORPZWBVJRCLMW-UHFFFAOYSA-N
SMILES:
NCCCc1cccnc1

Properties

Complexity:
83.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Literature

Title Journal
Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization. Journal of medicinal chemistry 20061130

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